1,2-Dichloroethane → HCID 178490991, compound

HRID 1226608Notes

Reaction equation

HRID 1226608 reaction equation
[C:59]([O:60][BH-:61]([O:62][C:63](=[O:64])[CH3:65])[O:66][C:67](=[O:68])[CH3:69])(=[O:70])[CH3:71].[CH3:55][C:56](=[O:57])[OH:58].[Cl:34][c:35]1[c:36]([C:51]([F:52])([F:53])[F:54])[cH:37][c:38]2[c:39]([nH:40][c:41]([CH2:43][CH2:44][CH:45]3[CH2:46][C:47](=[O:49])[CH2:48]3)[n:42]2)[cH:50]1.[Cl:73][CH2:74][CH2:75][Cl:76].[Cl:77][CH2:78][Cl:79].[NH2:1][CH2:2][CH:3]1[CH2:4][CH:5]([n:13]2[cH:14][cH:15][c:16]3[c:17]2[n:18][cH:19][n:20][c:21]3[NH:22][CH2:23][c:24]2[c:25]([O:32][CH3:33])[cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[CH:6]2[CH:7]1[O:8][C:9]([CH3:11])([CH3:12])[O:10]2.[Na+:72]>>[NH:1]([CH2:2][CH:3]1[CH2:4][CH:5]([n:13]2[cH:14][cH:15][c:16]3[c:17]2[n:18][cH:19][n:20][c:21]3[NH:22][CH2:23][c:24]2[c:25]([O:32][CH3:33])[cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[CH:6]2[CH:7]1[O:8][C:9]([CH3:11])([CH3:12])[O:10]2)[CH:47]1[CH2:46][CH:45]([CH2:44][CH2:43][c:41]2[nH:40][c:39]3[c:38]([cH:37][c:36]([C:51]([F:52])([F:53])[F:54])[c:35]([Cl:34])[cH:50]3)[n:42]2)[CH2:48]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 773529277-[6-(aminomethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amineHCID 178515984HCID 178515984, compound

Product 1

HCID 178490991HCID 178490991, compound

Sources & evidence

ORD record
ord-0c831ee968a04c739cd3a94e6575128d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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