Water → HCID 67164591, compound

HRID 89288Notes

Reaction equation

HRID 89288 reaction equation
[CH3:31][c:32]1[c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38][cH:39][n:40]1.[CH3:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51].[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[cH:6][cH:7][n:8][cH:9][c:10]3[nH:11][c:12]2[c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][O:20][C:21]([CH3:29])([CH3:30])[CH2:22][N:23]2[CH2:24][CH:25]([CH2:26][CH3:27])[NH2:28])[cH:14]1.[OH2:58].[cH:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[cH:6][cH:7][n:8][cH:9][c:10]3[nH:11][c:12]2[c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][O:20][C:21]([CH3:29])([CH3:30])[CH2:22][N:23]2[CH2:24][CH:25]([CH2:26][CH3:27])[NH:28][C:34]([c:33]2[c:32]([CH3:31])[n:40][cH:39][cH:38][cH:37]2)=[O:35])[cH:14]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 6433732-Methylnicotinic acidHCID 671644174-(2-Amino-butyl)-6,6-dimethyl-morpholine-3-carboxylic acid (6-chloro-9H-beta-carbolin-8-yl)-amide

Product 1

HCID 67164591HCID 67164591, compound

Sources & evidence

ORD record
ord-bb02e4ad1c544dcf93a3dd2383a43776
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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