Water → HCID 69746698, compound

HRID 1237272Notes

Reaction equation

HRID 1237272 reaction equation
[CH2:6]([CH2:7][CH2:8][CH3:9])[O:10][CH:11]([CH3:12])[O:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:39]2)[CH:25]=[C:26]([C:36](=[O:37])[OH:38])[CH2:27][CH2:28][N:29]3[CH2:30][c:31]2[s:32][cH:33][cH:34][n:35]2)[cH:18][cH:19]1.[CH3:44][N:45]([CH:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1)[CH2:52][c:53]1[cH:54][cH:55][c:56]([NH2:57])[cH:58][cH:59]1.[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[Cl:60][CH2:61][Cl:62].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[OH2:63].[S:40]([Cl:41])([Cl:42])=[O:43]>>[CH2:6]([CH2:7][CH2:8][CH3:9])[O:10][CH:11]([CH3:12])[O:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:39]2)[CH:25]=[C:26]([C:36](=[O:37])[NH:57][c:56]2[cH:55][cH:54][c:53]([CH2:52][N:45]([CH3:44])[CH:46]4[CH2:47][CH2:48][O:49][CH2:50][CH2:51]4)[cH:59][cH:58]2)[CH2:27][CH2:28][N:29]3[CH2:30][c:31]2[s:32][cH:33][cH:34][n:35]2)[cH:18][cH:19]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 9877845(4-Amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amineHCID 22328972HCID 22328972, compound

Product 1

HCID 69746698HCID 69746698, compound

Sources & evidence

ORD record
ord-de963cd9d16f45b784981e63f467c846
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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