1-Butanol → HCID 9823477, compound

HRID 1141230Notes

Reaction equation

HRID 1141230 reaction equation
[C:35](=[O:36])([O-:37])[OH:38].[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH3:27][N:28]([CH2:29][CH2:30][Cl:34])[CH2:32][CH2:33][Cl:31].[ClH:26].[NH2:1][c:2]1[c:3]2[c:7]([cH:8][cH:9][cH:10]1)[CH2:6][CH:5]([C:11](=[O:12])[NH:13][c:14]1[cH:15][cH:16][c:17]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:18][cH:19]1)[CH2:4]2.[Na+:39]>>[N:1]1([c:2]2[c:3]3[c:7]([cH:8][cH:9][cH:10]2)[CH2:6][CH:5]([C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([N:20]4[CH2:21][CH2:22][O:23][CH2:24][CH2:25]4)[cH:18][cH:19]2)[CH2:4]3)[CH2:30][CH2:29][N:28]([CH3:27])[CH2:32][CH2:33]1

Participants

7

Reactant 6

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 4033MechlorethamineHCID 10903842HCID 10903842, compound

Product 1

HCID 9823477HCID 9823477, compound

Sources & evidence

ORD record
ord-a0110be7ebc142eabee9d5b43fbb1272
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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